Org 48762-0 - ≥98% , CAS No.755753-89-0

CAS: 755753-89-0 Cat. No.: O286758 Fórmula: C₂₄H₁₆F₂N₄ Peso molecular: 398.41

GRAU & PUREZA ≥98%

Synonyms

Org 48762-0 | SCHEMBL1386962 | 4,6-Bis(4-fluorophenyl)-2-methyl-5-(pyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine | HY-114221 | 4,6-bis(4-fluorophenyl)-2-methyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine | 4,6-Bis(4-fluorophenyl)-2-methyl-5-(4-pyridyl)-2H-pyrazolo(3

Storage

Armazenar a 2-8°C, protegido da luz

Shipped In

Gelo húmido

Visão geral

O Org 48762-0 é um inibidor seletivo da p38α e da β-quinase (EC50 = 0,1 μM para a p38α). Seletivo para p38α/β em relação a um painel de 48 outras cinases humanas. Inibe a libertação de TNFα induzida por LPS a partir de PBMCs. Inibe igualmente a libertação de citocinas num modelo de endotoxemia induzida por LPS em ratinhos. Biodisponível por via oral.

Especificações

Sinónimos

Org 48762-0 | SCHEMBL1386962 | 4,6-Bis(4-fluorophenyl)-2-methyl-5-(pyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine | HY-114221 | 4,6-bis(4-fluorophenyl)-2-methyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine | 4,6-Bis(4-fluorophenyl)-2-methyl-5-(4-pyridyl)-2H-pyrazolo(3

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

Inibidor seletivo da p38αeβ-quinase (EC50= 0,1μM para p38α). Seletivo para p38α/β em relação a um painel de 48 outras cinases humanas. Inibe a libertação de TNFα induzida por LPS a partir de PBMCs. Inibe igualmente a libertação de citocinas num modelo de

Condições de armazenamento de armazenamento

Armazenar a 2-8°C, protegido da luz

Enviado em

Gelo húmido

Tipo de ação

INHIBITOR

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

CN1C=C2C(=C(C(=NC2=N1)C3=CC=C(C=C3)F)C4=CC=NC=C4)C5=CC=C(C=C5)F

IUPAC Name

4,6-bis(4-fluorophenyl)-2-methyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine

InChIKey

VMAKTIDYMSNPOV-UHFFFAOYSA-N

INCHI

1S/C24H16F2N4/c1-30-14-20-21(15-2-6-18(25)7-3-15)22(16-10-12-27-13-11-16)23(28-24(20)29-30)17-4-8-19(26)9-5-17/h2-14H,1H3

SMILES isoméricas

CN1C=C2C(=C(C(=NC2=N1)C3=CC=C(C=C3)F)C4=CC=NC=C4)C5=CC=C(C=C5)F

Peso molecular

398.41

Reaxy-Rn

12014115

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12014115&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Bipyridines and oligopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Bipyridines and oligopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Bipyridines and oligopyridines
• Alternative Parents: Phenylpyridines Pyrazolopyridines Fluorobenzenes Aryl fluorides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Bipyridine - 2-phenylpyridine - 4-phenylpyridine - Pyrazolopyridine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Pyrazole - Azacycle - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 39.84, Max Conc. mM: 100; Solvent:1eq. HCl, Max Conc. mg/mL: 19.92, Max Conc. mM: 50
• Sensibilidade: Light sensitive
• Peso molecular: 398.400 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 398.134 Da
• Monoisotopic Mass: 398.134 Da
• Topological Polar Surface Area: 43.600 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 555.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1